⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1999337 | 0.88 | ALDH1A1 (0.38) | — | |
| SCHEMBL2002394 | 0.88 | ALDH1A1 (0.43) | — | |
| SCHEMBL2003862 | 0.85 | — | — | |
| SCHEMBL209331 | 0.81 | — | — | |
| SCHEMBL1995120 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL5828268 | 0.72 | PRMT3 (0.38) | — | |
| SCHEMBL739304 | 0.72 | — | — | |
| SCHEMBL15484733 | 0.72 | — | — | |
| SCHEMBL9033900 | 0.71 | — | — | |
| SCHEMBL26771 | 0.71 | CA12 (0.37) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1296973-A1 | GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES | AstraZeneca AB (SE) | 2003-04-02 | — | — | EP | disclosed |
| WO-2002000644-A1 | GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES | ASTRAZENECA AB (SE) | 2002-01-03 | — | — | WO | disclosed |
| EP-0822544-B1 | Optical recording medium | MITSUI CHEMICALS INC (JP) | 2001-01-03 | — | — | EP | disclosed |
| US-5955464-A | USE OF THE RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES OF THE COMPOUNDS IN THE TREATMENT OF PROLIFERATIVE DISEASE SUCH AS CANCER | ZENECA LIMITED (GB) | 1999-09-21 | — | — | US | disclosed |
| US-5948593-A | CONTAINING A PIPYRROMETHENE METAL CHELATE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 1999-09-07 | — | — | US | disclosed |
| EP-0822544-A1 | Optical recording medium | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1998-02-04 | — | — | EP | disclosed |
| EP-0794953-A1 | QUINAZOLINE DERIVATIVES | ZENECA LIMITED (GB) | 1997-09-17 | — | — | EP | disclosed |
| WO-1996016960-A1 | QUINAZOLINE DERIVATIVES | ZENECA LIMITED (GB) | 1996-06-06 | — | — | WO | disclosed |